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DocumentationIdentifier: MM117146
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM117146 |
| SMILES |
CC=C(CN)C(N)=O
|
| InChIKey |
MQCQQVHHSYZOPK-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM35139
Similarity: 0.8022
Similarity to MM35139
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180733
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| Tanimoto metric | 0.7849 |
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| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM180682
Similarity: 0.7684
Similarity to MM180682
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+438 more
